Information card for entry 2205688

Structure parameters

• Chemical name: (3,5-bis(phenylamino)-1,2-dithiolan-4-yl)(2,5-dichlorophenyl)methanone
• Formula: C22 H14 Cl2 N2 O S2
• Calculated formula: C22 H14 Cl2 N2 O S2
• SMILES: S1SC(Nc2ccccc2)=C(C1=Nc1ccccc1)C(=O)c1c(Cl)ccc(Cl)c1
• Title of publication: (3,5-Bis(phenylamino)-1,2-dithiolan-4-yl)(2,5-dichlorophenyl)methanone
• Authors of publication: Xu, Liang-Zhong; Yu, Guan-Ping; Huang, Yong-Wei; Zhou, Kai; Zhu, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1321 - o1322
• a: 10.0686 ± 0.0018 Å
• b: 10.3118 ± 0.0019 Å
• c: 10.392 ± 0.0019 Å
• α: 87.47 ± 0.003°
• β: 85.492 ± 0.002°
• γ: 78.284 ± 0.002°
• Cell volume: 1052.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes